Geometry & MOs

Info

ID:	327538
PubChem CID:	126690288
Reduced:	NC21H23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	55.76
Dipole, Da:	1.54
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[[(1E,3E)-4-fluorocycloocta-1,3,6-trien-1-yl]methyl]imidazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1(CC2=C(C=C(C=C2)C3=CC=CC=C3)C(=N1)C=C)CC

DOS

IR

Vibrations